(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate

C10H15N3O2 — CID 158550367

IUPAC(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate
SMILESCC(C)c1nccc(OC(=O)N(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)9-11-6-5-8(12-9)15-10(14)13(3)4/h5-7H,1-4H3
InChIKeyHPQIBBCHRVFANV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.66
Rot. Bonds2

About (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate

(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate (PubChem CID 158550367) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate
PubChem CID158550367
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate
SMILESCC(C)c1nccc(OC(=O)N(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)9-11-6-5-8(12-9)15-10(14)13(3)4/h5-7H,1-4H3
InChIKeyHPQIBBCHRVFANV-UHFFFAOYSA-N
XLogP1.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
4-Methoxy-2-methylpyrimidine
CID 535905
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
2-Ethynyl-4-methoxypyrimidine
CID 10011938
1-(4-Methoxypyrimidin-2-yl)methanamine
CID 59569974
Fluropyrimidine carbamate
CID 129722207
Pyrimidine, 2,4-bis(1,1-dimethylethoxy)-
CID 901709
4-methoxy-N,N-dimethylpyrimidin-2-amine
CID 12229622
Sodium 2-(4-methoxypyrimidin-2-yl)acetate
CID 23696668
2-(Bromomethyl)-4-methoxypyrimidine
CID 52987907

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate?
The IUPAC name of (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate (CID 158550367) is (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate is CC(C)c1nccc(OC(=O)N(C)C)n1.
What is the InChIKey of (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate?
The InChIKey is HPQIBBCHRVFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)9-11-6-5-8(12-9)15-10(14)13(3)4/h5-7H,1-4H3.
What are the key properties of (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate?
(2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate has a molecular weight of 209.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrimidin-4-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 158550367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).